COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.330   0.108   1.038  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.258   0.854   2.160  1.00  0.00           O  
HETATM    3  O   UNL     1     -11.392  -0.378   0.698  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.133  -0.109   0.226  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.068  -0.841  -0.941  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.741  -0.786  -1.379  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.051  -0.030  -0.474  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.900   0.376   0.485  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.611   0.291  -0.542  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.021   1.077   0.450  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.676   1.373   0.381  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.911   0.894  -0.668  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.490   0.115  -1.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.833  -0.194  -1.595  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.442   1.222  -0.737  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.697   0.217  -0.047  1.00  0.00           O  
HETATM   17  C   UNL     1       0.654   0.364  -0.015  1.00  0.00           C  
HETATM   18  C   UNL     1       1.246   1.458  -0.631  1.00  0.00           C  
HETATM   19  C   UNL     1       2.616   1.611  -0.600  1.00  0.00           C  
HETATM   20  C   UNL     1       3.407   0.663   0.051  1.00  0.00           C  
HETATM   21  C   UNL     1       2.808  -0.435   0.669  1.00  0.00           C  
HETATM   22  C   UNL     1       1.437  -0.578   0.639  1.00  0.00           C  
HETATM   23  C   UNL     1       4.878   0.823   0.086  1.00  0.00           C  
HETATM   24  C   UNL     1       5.572   1.998   0.014  1.00  0.00           C  
HETATM   25  C   UNL     1       6.935   1.636   0.088  1.00  0.00           C  
HETATM   26  N   UNL     1       6.988   0.322   0.196  1.00  0.00           N  
HETATM   27  N   UNL     1       5.803  -0.176   0.203  1.00  0.00           N  
HETATM   28  C   UNL     1       5.505  -1.539   0.310  1.00  0.00           C  
HETATM   29  C   UNL     1       4.563  -2.114  -0.534  1.00  0.00           C  
HETATM   30  C   UNL     1       4.271  -3.460  -0.426  1.00  0.00           C  
HETATM   31  C   UNL     1       4.915  -4.234   0.522  1.00  0.00           C  
HETATM   32  C   UNL     1       5.852  -3.665   1.364  1.00  0.00           C  
HETATM   33  C   UNL     1       6.153  -2.321   1.257  1.00  0.00           C  
HETATM   34  C   UNL     1       3.250  -4.084  -1.342  1.00  0.00           C  
HETATM   35  C   UNL     1       8.088   2.556   0.051  1.00  0.00           C  
HETATM   36  O   UNL     1       9.342   2.070   0.132  1.00  0.00           O  
HETATM   37  O   UNL     1       7.906   3.753  -0.053  1.00  0.00           O  
HETATM   38  H   UNL     1     -11.100   0.945   2.627  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.884  -1.358  -1.424  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.338  -1.252  -2.265  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.616   1.452   1.269  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.218   1.981   1.148  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.888  -0.255  -2.471  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.283  -0.802  -2.365  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.126   1.258  -1.780  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.264   2.191  -0.270  1.00  0.00           H  
HETATM   47  H   UNL     1       0.633   2.191  -1.135  1.00  0.00           H  
HETATM   48  H   UNL     1       3.076   2.462  -1.079  1.00  0.00           H  
HETATM   49  H   UNL     1       3.417  -1.170   1.174  1.00  0.00           H  
HETATM   50  H   UNL     1       0.973  -1.425   1.121  1.00  0.00           H  
HETATM   51  H   UNL     1       5.164   2.994  -0.081  1.00  0.00           H  
HETATM   52  H   UNL     1       4.060  -1.510  -1.275  1.00  0.00           H  
HETATM   53  H   UNL     1       4.684  -5.286   0.605  1.00  0.00           H  
HETATM   54  H   UNL     1       6.352  -4.273   2.103  1.00  0.00           H  
HETATM   55  H   UNL     1       6.889  -1.878   1.911  1.00  0.00           H  
HETATM   56  H   UNL     1       3.745  -4.450  -2.242  1.00  0.00           H  
HETATM   57  H   UNL     1       2.764  -4.915  -0.831  1.00  0.00           H  
HETATM   58  H   UNL     1       2.503  -3.339  -1.615  1.00  0.00           H  
HETATM   59  H   UNL     1      10.064   2.712   0.103  1.00  0.00           H  
CONECT    1    4    3    3    2                                       
CONECT    2    1   38                                                 
CONECT    3    1    1                                                 
CONECT    4    8    5    5    1                                       
CONECT    5    6    4    4   39                                       
CONECT    6    7    7    5   40                                       
CONECT    7    9    6    6    8                                       
CONECT    8    7    4                                                 
CONECT    9   14   14   10    7                                       
CONECT   10   11   11    9   41                                       
CONECT   11   12   10   10   42                                       
CONECT   12   15   13   13   11                                       
CONECT   13   12   12   14   43                                       
CONECT   14   13    9    9   44                                       
CONECT   15   16   12   45   46                                       
CONECT   16   17   15                                                 
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   47                                       
CONECT   19   18   20   20   48                                       
CONECT   20   19   19   21   23                                       
CONECT   21   22   22   20   49                                       
CONECT   22   17   21   21   50                                       
CONECT   23   20   24   24   27                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   35   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   23   26   28                                            
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28   52                                       
CONECT   30   34   29   29   31                                       
CONECT   31   30   32   32   53                                       
CONECT   32   31   31   33   54                                       
CONECT   33   28   28   32   55                                       
CONECT   34   30   56   57   58                                       
CONECT   35   37   37   25   36                                       
CONECT   36   35   59                                                 
CONECT   37   35   35                                                 
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
